UCSF

ZINC51397094

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.57 5.72 -42.1 3 3 1 44 246.378 2
Hi High (pH 8-9.5) 2.57 5.32 -3.06 2 3 0 42 245.37 2
Mid Mid (pH 6-8) 2.57 5.73 -23.86 3 3 1 43 246.378 2
Lo Low (pH 4.5-6) 2.57 6.12 -109.14 4 3 2 45 247.386 2

Activity (Go SEA)

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