UCSF

ZINC37412709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 3.17 7.72 -7.25 0 2 0 18 241.121 2
Lo Low (pH 4.5-6) 3.17 8.14 -27.29 1 2 1 19 242.129 2

Activity (Go SEA)

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