UCSF

ZINC36765939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 5.21 9.58 -5.71 2 3 0 44 348.288 3
Mid Mid (pH 6-8) 5.21 9.63 -30.12 3 3 1 45 349.296 3

Activity (Go SEA)

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