UCSF

ZINC43425208

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) 2.85 4.5 -1.6 2 3 0 38 266.429 1
Mid Mid (pH 6-8) 2.85 6.11 -29.46 3 3 1 40 267.437 1
Mid Mid (pH 6-8) 2.85 6.02 -111.13 4 3 2 41 268.445 1

Activity (Go SEA)

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