UCSF

ZINC35719108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 2.55 5.1 -46.07 3 2 1 31 332.312 5
Hi High (pH 8-9.5) 2.55 4.3 -3.39 2 2 0 29 331.304 5
Mid Mid (pH 6-8) 2.55 5.98 -34.68 3 2 1 30 332.312 5
Mid Mid (pH 6-8) 2.55 6.69 -130.08 4 2 2 32 333.32 5

Activity (Go SEA)

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