UCSF

ZINC40038028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 22 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) 3.66 8.21 -12.3 1 5 0 68 315.398 4
Hi High (pH 8-9.5) 3.73 6.46 -51.22 0 5 -1 74 314.39 4

Activity (Go SEA)

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