UCSF

ZINC12563747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 26 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) 2.00 7.93 -15.86 1 6 0 67 356.47 4
Mid Mid (pH 6-8) 2.00 8.5 -34.53 2 6 1 68 357.478 4

Activity (Go SEA)

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