UCSF

ZINC55166463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 3.13 8.27 -85.27 3 4 2 42 313.445 2
Hi High (pH 8-9.5) 3.13 5.44 -8.91 1 4 0 40 311.429 2
Mid Mid (pH 6-8) 3.13 7.89 -36.57 2 4 1 41 312.437 2

Activity (Go SEA)

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