UCSF

ZINC34983831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.93 11.9 -13.2 0 7 0 82 437.484 3
Lo Low (pH 4.5-6) 3.93 12.36 -44.45 1 7 1 83 438.492 3

Activity (Go SEA)

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