UCSF

ZINC55098911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 30 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) 3.16 12.33 -18.26 0 5 0 44 405.542 4
Mid Mid (pH 6-8) 3.16 12.18 -39.24 1 5 1 45 406.55 4

Activity (Go SEA)

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