UCSF

ZINC34668502

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.41 7.76 -10.17 1 5 0 45 367.493 7
Mid Mid (pH 6-8) 3.41 9.99 -46.26 2 5 1 46 368.501 7

Activity (Go SEA)

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