UCSF

ZINC53128346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 0.12 0.34 -49.14 4 6 1 86 292.425 4
Mid Mid (pH 6-8) 0.12 -1.73 -8.52 3 6 0 82 291.417 4

Activity (Go SEA)

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