UCSF

ZINC36996985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.04 4.34 -34.67 3 3 1 40 261.389 3
Lo Low (pH 4.5-6) 3.04 6.62 -107.81 4 3 2 41 262.397 3

Activity (Go SEA)

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