UCSF

ZINC32199390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 3.29 9.93 -90 3 3 2 30 306.475 9
Hi High (pH 8-9.5) 3.29 5.9 -5.31 1 3 0 24 304.459 9
Mid Mid (pH 6-8) 3.29 8.5 -35.71 2 3 1 26 305.467 9

Activity (Go SEA)

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