UCSF

ZINC36876838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.55 7.98 -51.04 4 3 1 56 286.443 5
Hi High (pH 8-9.5) 2.55 7.7 -6.92 3 3 0 55 285.435 5
Lo Low (pH 4.5-6) 2.55 8.35 -119.62 5 3 2 58 287.451 5

Activity (Go SEA)

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