UCSF

ZINC34960330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.80 3.67 -109.75 5 4 2 61 229.368 7
Hi High (pH 8-9.5) 0.80 1.61 -43.34 4 4 1 60 228.36 7
Mid Mid (pH 6-8) 0.80 3.29 -36.02 4 4 1 60 228.36 7

Activity (Go SEA)

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