UCSF

ZINC34679201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 2.79 12.87 -14.43 0 7 0 62 387.528 4
Lo Low (pH 4.5-6) 2.79 13.19 -30.99 1 7 1 63 388.536 4
Lo Low (pH 4.5-6) 2.79 13.17 -37.26 1 7 1 63 388.536 4

Activity (Go SEA)

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