UCSF

ZINC42447255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.87 3.86 -7.72 1 4 0 49 221.304 3
Lo Low (pH 4.5-6) 1.87 3.97 -25.64 2 4 1 50 222.312 3

Activity (Go SEA)

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