UCSF

ZINC00692816

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 2.33 9.58 -14.28 0 9 0 88 501.587 8
Mid Mid (pH 6-8) 2.33 11.86 -61.16 1 9 1 89 502.595 8

Activity (Go SEA)

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