UCSF

ZINC16149117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 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) 4.29 3.81 -42.49 0 5 -1 67 382.286 7
Mid Mid (pH 6-8) 4.29 3.76 -11.02 1 5 0 65 383.294 7

Activity (Go SEA)

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