UCSF

ZINC43247696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.68 5.91 -32.27 3 2 1 31 253.435 6
Hi High (pH 8-9.5) 2.68 5.3 -1.25 2 2 0 29 252.427 6
Mid Mid (pH 6-8) 2.68 6.56 -28.48 3 2 1 30 253.435 6
Mid Mid (pH 6-8) 2.68 6.84 -99.21 4 2 2 32 254.443 6

Activity (Go SEA)

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