UCSF

ZINC34685183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 2.38 8.66 -12.18 0 7 0 66 456.612 8
Mid Mid (pH 6-8) 2.38 10.9 -49.67 1 7 1 67 457.62 8

Activity (Go SEA)

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