UCSF

ZINC13568108

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 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) 1.72 6.13 -16.71 2 8 0 101 438.966 6
Mid Mid (pH 6-8) 1.72 7.26 -39.93 3 8 1 103 439.974 6

Activity (Go SEA)

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