UCSF

ZINC34679086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 4.84 15.59 -14 0 7 0 62 463.626 4
Lo Low (pH 4.5-6) 4.84 16.1 -32.24 1 7 1 63 464.634 4
Lo Low (pH 4.5-6) 4.84 16.06 -33.53 1 7 1 63 464.634 4

Activity (Go SEA)

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