UCSF

ZINC43396018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.06 6.59 -95.81 4 4 2 54 267.417 8
Mid Mid (pH 6-8) 2.06 6.08 -46.3 3 4 1 53 266.409 8

Activity (Go SEA)

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