UCSF

ZINC65415488

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2011 16 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) 0.93 1.17 -6.76 0 5 0 51 225.292 3
Mid Mid (pH 6-8) 0.93 3.37 -39.12 1 5 1 53 226.3 3

Activity (Go SEA)

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