UCSF

ZINC19435460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 2.50 4.63 -39.19 2 4 1 40 266.409 2
Hi High (pH 8-9.5) 2.50 3.45 -8.89 1 4 0 36 265.401 2
Mid Mid (pH 6-8) 2.50 6.89 -95.42 3 4 2 41 267.417 2

Activity (Go SEA)

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