UCSF

ZINC19939709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 1.51 6.7 -15.74 0 6 0 51 342.443 4
Mid Mid (pH 6-8) 1.51 7.1 -33.05 1 6 1 52 343.451 4

Activity (Go SEA)

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