UCSF

ZINC37187091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.95 6.75 -30.31 2 4 1 43 239.302 3
Mid Mid (pH 6-8) 1.95 6.3 -9.99 1 4 0 42 238.294 3
Lo Low (pH 4.5-6) 1.95 7.23 -74.54 3 4 2 45 240.31 3

Activity (Go SEA)

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