UCSF

ZINC29835705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 17 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) 1.37 2.91 -15.59 2 5 0 75 232.239 2
Mid Mid (pH 6-8) 1.83 1.17 -56.96 1 5 -1 78 231.231 2

Activity (Go SEA)

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