UCSF

ZINC34475823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 3.34 5.91 -49.13 0 3 -1 49 241.675 2
Lo Low (pH 4.5-6) 3.34 4.96 -7.58 1 3 0 47 242.683 2

Activity (Go SEA)

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