UCSF

ZINC61761426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 27 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) 1.20 9.45 -51.89 1 6 1 54 374.505 7
Mid Mid (pH 6-8) 1.20 7.24 -18.95 0 6 0 53 373.497 7

Activity (Go SEA)

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