UCSF

ZINC01774695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 25 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) 6.34 13.75 -8.59 0 3 0 29 333.479 5
Mid Mid (pH 6-8) 6.34 14.09 -23.04 1 3 1 30 334.487 5

Activity (Go SEA)

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