UCSF

ZINC20022957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.95 8.71 -37.57 3 2 1 30 301.376 4
Mid Mid (pH 6-8) 1.95 8.99 -144.96 4 2 2 32 302.384 4

Activity (Go SEA)

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