UCSF

ZINC42912741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.72 5.06 -106.13 4 3 2 35 267.392 4
Mid Mid (pH 6-8) 1.72 2.7 -47.27 3 3 1 34 266.384 4

Activity (Go SEA)

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