UCSF

ZINC49856102

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 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) 0.22 2.11 -108.04 4 3 2 41 176.304 6
Hi High (pH 8-9.5) 0.22 -1.19 -2.77 2 3 0 35 174.288 6
Mid Mid (pH 6-8) 0.22 -0.04 -35.95 3 3 1 40 175.296 6
Mid Mid (pH 6-8) 0.22 0.81 -29.9 3 3 1 37 175.296 6

Activity (Go SEA)

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