UCSF

ZINC60313119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 12 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) 1.40 4.17 -30.49 1 2 1 8 169.292 1
Hi High (pH 8-9.5) 1.40 2.01 -1.06 0 2 0 6 168.284 1
Hi High (pH 8-9.5) 1.40 4.7 -32.04 1 2 1 8 169.292 1
Mid Mid (pH 6-8) 1.40 6.86 -99.19 2 2 2 9 170.3 1

Activity (Go SEA)

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