UCSF

ZINC20997503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 15 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) 1.62 4.97 -13.3 1 4 0 47 204.229 3
Mid Mid (pH 6-8) 1.62 5.49 -30.63 2 4 1 48 205.237 3

Activity (Go SEA)

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