UCSF

ZINC21817640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 3.50 8.15 -116.72 4 2 2 32 254.462 3
Mid Mid (pH 6-8) 3.50 7.54 -44.94 3 2 1 31 253.454 3

Activity (Go SEA)

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