UCSF

ZINC19906773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.59 7.67 -8.74 1 2 0 25 252.292 3
Mid Mid (pH 6-8) 3.59 8.08 -33.23 2 2 1 26 253.3 3

Activity (Go SEA)

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