UCSF

ZINC36732222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.30 2.48 -50.94 4 4 1 60 254.398 7
Mid Mid (pH 6-8) 1.30 4.09 -34.67 4 4 1 60 254.398 7

Activity (Go SEA)

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