UCSF

ZINC37037957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.40 6.46 -114.19 4 4 2 52 299.365 4
Hi High (pH 8-9.5) 0.40 6.08 -40.95 3 4 1 51 298.357 4
Mid Mid (pH 6-8) 0.40 4.6 -51.29 3 4 1 51 298.357 4

Activity (Go SEA)

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