UCSF

ZINC49285426

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 0.39 1.87 -96.01 5 5 2 64 258.41 7
Mid Mid (pH 6-8) 0.39 -0.33 -46.74 4 5 1 63 257.402 7
Lo Low (pH 4.5-6) 0.39 1.96 -116.43 5 5 2 64 258.41 7

Activity (Go SEA)

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