UCSF

ZINC65538403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 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) 0.72 8.64 -17.81 0 6 0 57 330.432 4
Lo Low (pH 4.5-6) 0.72 9.11 -42.4 1 6 1 58 331.44 4

Activity (Go SEA)

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