UCSF

ZINC42915519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.93 2.27 -131.16 5 3 2 52 242.338 6
Mid Mid (pH 6-8) 0.93 1.73 -46.23 4 3 1 51 241.33 6
Mid Mid (pH 6-8) 0.93 1.89 -33.01 4 3 1 51 241.33 6

Activity (Go SEA)

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