UCSF

ZINC65494777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 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 3.47 -30.8 1 4 1 36 251.35 3
Mid Mid (pH 6-8) 1.95 3.16 -5.61 0 4 0 35 250.342 3

Activity (Go SEA)

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