UCSF

ZINC34678367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 2.55 7.48 -46.27 1 7 1 63 401.531 9
Mid Mid (pH 6-8) 2.55 7.53 -47.06 1 7 1 63 401.531 9
Mid Mid (pH 6-8) 2.55 5.24 -9.27 0 7 0 62 400.523 9

Activity (Go SEA)

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