UCSF

ZINC34867301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 3.69 8.71 -48.2 2 4 1 43 390.306 5
Hi High (pH 8-9.5) 3.69 6.5 -7.28 1 4 0 42 389.298 5

Activity (Go SEA)

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