UCSF

ZINC06416111

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 25 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) 3.22 4.01 -15.46 1 6 0 84 382.507 5
Mid Mid (pH 6-8) 3.22 4.11 -53.51 0 6 -1 86 381.499 5

Activity (Go SEA)

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