UCSF

ZINC36892153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) -0.16 2.06 -59.38 4 4 1 74 247.196 3
Hi High (pH 8-9.5) 0.30 -0.9 -47.15 2 4 -1 75 245.18 3
Mid Mid (pH 6-8) 0.30 -0.56 -78.65 3 4 0 77 246.188 3

Activity (Go SEA)

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