UCSF

ZINC34891564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) 3.71 4.95 -53.43 1 9 -1 117 436.473 7
Lo Low (pH 4.5-6) 3.71 5.41 -56.2 2 9 0 119 437.481 7

Activity (Go SEA)

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