UCSF

ZINC42606896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.02 1.31 -42.47 3 3 1 34 266.453 3
Mid Mid (pH 6-8) 2.02 7.11 -98.58 4 3 2 35 267.461 3
Mid Mid (pH 6-8) 2.02 2.67 -116.91 4 3 2 35 267.461 3
Mid Mid (pH 6-8) 2.02 4.62 -107.74 4 3 2 35 267.461 3
Mid Mid (pH 6-8) 2.02 4.27 -31.78 3 3 1 34 266.453 3
Lo Low (pH 4.5-6) 2.02 6.84 -214.04 5 3 3 37 268.469 3

Activity (Go SEA)

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