UCSF

ZINC00623417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 5.54 12.05 -11.93 1 5 0 56 501.178 4
Mid Mid (pH 6-8) 5.54 12.48 -27.59 2 5 1 57 502.186 4

Activity (Go SEA)

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