UCSF

ZINC32210378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.45 2.14 -54.3 3 5 1 59 309.43 7
Hi High (pH 8-9.5) 1.45 0.64 -7.34 2 5 0 54 308.422 7
Lo Low (pH 4.5-6) 1.45 2.97 -43.94 3 5 1 55 309.43 7

Activity (Go SEA)

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