UCSF

ZINC37213930

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) 0.41 8.53 -118.16 3 4 2 41 289.423 4
Mid Mid (pH 6-8) 0.41 7.35 -36.3 2 4 1 37 288.415 4

Activity (Go SEA)

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