UCSF

ZINC37223925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.89 9.29 -51.86 3 3 1 45 280.395 4
Hi High (pH 8-9.5) 1.89 8.98 -7.83 2 3 0 44 279.387 4
Mid Mid (pH 6-8) 1.89 9.76 -116.19 4 3 2 47 281.403 4

Activity (Go SEA)

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