UCSF

ZINC45966646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 28 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) -0.18 4.13 -12.05 1 8 0 80 391.468 8
Mid Mid (pH 6-8) -0.18 5.4 -59.48 2 8 1 85 392.476 8

Activity (Go SEA)

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