UCSF

ZINC58874510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2011 16 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) 0.83 3.43 -7.8 0 4 0 33 224.304 6
Lo Low (pH 4.5-6) 0.83 5.64 -36.64 1 4 1 34 225.312 6

Activity (Go SEA)

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