UCSF

ZINC37802850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.91 2.12 -41.4 3 5 1 64 252.338 4
Mid Mid (pH 6-8) 0.91 4.35 -94.95 4 5 2 66 253.346 4

Activity (Go SEA)

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