UCSF

ZINC35451207

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.07 4.84 -25.45 1 4 1 25 245.35 2
Hi High (pH 8-9.5) 1.07 4.4 -9.35 0 4 0 24 244.342 2
Hi High (pH 8-9.5) 1.07 6.76 -39.06 1 4 1 25 245.35 2
Mid Mid (pH 6-8) 1.07 7.2 -76.13 2 4 2 26 246.358 2
Mid Mid (pH 6-8) 1.07 7.08 -93.63 2 4 2 26 246.358 2

Activity (Go SEA)

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