UCSF

ZINC34691199

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 23 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) 5.16 11.97 -5.91 1 2 0 25 302.421 5
Lo Low (pH 4.5-6) 5.16 12.44 -31.63 2 2 1 26 303.429 5

Activity (Go SEA)

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