UCSF

ZINC35451399

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) 1.64 5.26 -25.91 1 4 1 25 245.35 2
Hi High (pH 8-9.5) 1.64 4.52 -9.3 0 4 0 24 244.342 2
Mid Mid (pH 6-8) 1.64 7.62 -76.72 2 4 2 26 246.358 2
Mid Mid (pH 6-8) 1.64 7.52 -94.24 2 4 2 26 246.358 2
Mid Mid (pH 6-8) 1.64 6.88 -38.98 1 4 1 25 245.35 2

Activity (Go SEA)

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