UCSF

ZINC32233570

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 28 Yes

Popular Name: 1-pyrrolidin-1-yl-2-[4-(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]ethanone 1-pyrrolidin-1-yl-2-[4-(3,4,6-tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 9.11 -47.64 1 6 1 58 401.556 3 ↓
Hi High (pH 8-9.5) 2.52 6.9 -15.03 0 6 0 57 400.548 3 ↓
Mid Mid (pH 6-8) 2.52 9.5 -85.57 2 6 2 59 402.564 3 ↓
Mid Mid (pH 6-8) 2.52 7.41 -40.63 1 6 1 58 401.556 3 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )