UCSF

ZINC35433340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 2.59 8.29 -59.55 0 5 -1 61 246.29 5
Mid Mid (pH 6-8) 2.59 9 -66.23 2 5 1 63 248.306 5
Mid Mid (pH 6-8) 2.59 8.53 -36.5 1 5 0 62 247.298 5
Mid Mid (pH 6-8) 2.59 8.77 -45.72 1 5 0 62 247.298 5

Activity (Go SEA)

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