UCSF

ZINC34823525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 4.01 10.48 -44.64 2 3 1 33 286.443 8
Mid Mid (pH 6-8) 4.01 10.97 -93.25 3 3 2 34 287.451 8

Activity (Go SEA)

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