UCSF

ZINC34939925

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 No

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) 1.16 2.84 -12.6 2 5 0 67 230.308 8
Mid Mid (pH 6-8) 1.16 4.09 -44.11 3 5 1 72 231.316 8

Activity (Go SEA)

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