UCSF

ZINC45665750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.53 3.11 -111.21 4 4 2 45 245.411 8
Hi High (pH 8-9.5) 0.53 0.63 -47.91 3 4 1 43 244.403 8
Lo Low (pH 4.5-6) 0.53 4.76 -227.91 5 4 3 46 246.419 8

Activity (Go SEA)

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