UCSF

ZINC37102632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.25 7.67 -36.36 2 3 1 43 242.383 6
Mid Mid (pH 6-8) 3.25 6.78 -2.97 1 3 0 38 241.375 6

Activity (Go SEA)

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