UCSF

ZINC52293780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 3.04 8.39 -33.01 2 4 0 66 242.278 3
Mid Mid (pH 6-8) 3.04 8.09 -59.91 1 4 -1 65 241.27 3

Activity (Go SEA)

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