UCSF

ZINC45655598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 3.69 6.87 -40.49 2 2 1 20 312.275 4
Hi High (pH 8-9.5) 3.69 5.83 -1.62 1 2 0 15 311.267 4
Mid Mid (pH 6-8) 3.69 8.23 -33.16 2 2 1 16 312.275 4

Activity (Go SEA)

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