UCSF

ZINC35765716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 37 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) 4.52 12.93 -16.11 0 7 0 66 515.67 14
Mid Mid (pH 6-8) 4.52 15.25 -59.19 1 7 1 67 516.678 14

Activity (Go SEA)

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