UCSF

ZINC41652994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.22 3.59 -12.18 3 4 0 68 259.284 4
Lo Low (pH 4.5-6) 1.22 4.05 -40.95 4 4 1 69 260.292 4

Activity (Go SEA)

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