UCSF

ZINC34677968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 2.45 5.6 -46.34 2 7 1 72 421.521 8
Mid Mid (pH 6-8) 2.45 5.62 -46.18 2 7 1 72 421.521 8
Mid Mid (pH 6-8) 2.45 3.35 -9.52 1 7 0 71 420.513 8

Activity (Go SEA)

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