UCSF

ZINC37213788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.79 7.18 -40.46 2 3 1 33 287.427 5
Mid Mid (pH 6-8) 3.79 9.52 -113.2 3 3 2 34 288.435 5
Mid Mid (pH 6-8) 3.79 8.4 -37.18 2 3 1 30 287.427 5

Activity (Go SEA)

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