UCSF

ZINC34060135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 31 No

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) -4.41 -2.62 -379.65 3 18 -4 284 504.134 8
Hi High (pH 8-9.5) -4.04 -4.68 -451.85 2 18 -5 288 503.126 8
Mid Mid (pH 6-8) -4.41 -3.78 -240.7 4 18 -3 282 505.142 8

Activity (Go SEA)

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