UCSF

ZINC09446273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 30 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) 3.47 4.84 -17.22 3 7 0 99 427.888 6
Ref Reference (pH 7) 3.47 4.18 -14.52 3 7 0 99 427.888 6
Hi High (pH 8-9.5) 3.45 4.98 -43.02 1 7 -1 98 426.88 6
Hi High (pH 8-9.5) 3.45 4.5 -53 1 7 -1 98 426.88 6
Hi High (pH 8-9.5) 3.47 5.01 -40.16 2 7 -1 102 426.88 6
Mid Mid (pH 6-8) 3.47 4.95 -52.44 2 7 -1 102 426.88 6

Activity (Go SEA)

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