UCSF

ZINC49737607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 17 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) 1.02 4.11 -37.72 2 4 1 37 242.387 5
Hi High (pH 8-9.5) 1.02 1.73 -8.26 1 4 0 36 241.379 5
Mid Mid (pH 6-8) 1.02 3.6 -40.16 2 4 1 37 242.387 5

Activity (Go SEA)

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