UCSF

ZINC36890381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 3.20 8.12 -7.9 0 2 0 18 241.121 2
Lo Low (pH 4.5-6) 3.20 8.56 -27.77 1 2 1 19 242.129 2

Activity (Go SEA)

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