UCSF

ZINC36667770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 11 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) 0.31 3.29 -40.05 2 3 1 40 156.253 5
Hi High (pH 8-9.5) 0.31 0.82 -5.4 1 3 0 39 155.245 5
Mid Mid (pH 6-8) 0.31 2.18 -50.23 2 3 1 44 156.253 5
Lo Low (pH 4.5-6) 0.31 4.64 -124.42 3 3 2 45 157.261 5

Activity (Go SEA)

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