UCSF

ZINC34687194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.35 9.18 -9.12 0 4 0 33 390.524 7
Lo Low (pH 4.5-6) 3.35 11.47 -55.09 1 4 1 34 391.532 7

Activity (Go SEA)

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