UCSF

ZINC02925444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 No

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) 1.49 6.6 -51.18 0 8 -1 91 409.513 6
Mid Mid (pH 6-8) 1.03 7.96 -20.89 1 8 0 88 410.521 6

Activity (Go SEA)

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