UCSF

ZINC13473621

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) 0.14 6.79 -16.07 0 8 0 88 266.257 4
Mid Mid (pH 6-8) 0.14 7.27 -53.4 1 8 1 89 267.265 4

Activity (Go SEA)

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