UCSF

ZINC09243312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 27 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) 3.19 4.43 -15.24 3 6 0 89 428.286 5
Hi High (pH 8-9.5) 3.17 5.2 -44.15 1 6 -1 88 427.278 5
Hi High (pH 8-9.5) 3.17 4.73 -56.71 1 6 -1 88 427.278 5
Hi High (pH 8-9.5) 3.19 5.24 -39.26 2 6 -1 92 427.278 5
Mid Mid (pH 6-8) 3.19 5.18 -54.93 2 6 -1 92 427.278 5

Activity (Go SEA)

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