UCSF

ZINC36937461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.40 7.03 -25.5 3 3 1 45 271.171 2
Mid Mid (pH 6-8) 3.40 6.92 -7.29 2 3 0 44 270.163 2

Activity (Go SEA)

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