UCSF

ZINC43417474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.55 4.93 -109.64 5 4 2 61 257.422 8
Mid Mid (pH 6-8) 1.55 4.55 -37.86 4 4 1 60 256.414 8

Activity (Go SEA)

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