UCSF

ZINC70617063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 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) -0.20 2.21 -42.91 2 4 1 46 201.29 4
Mid Mid (pH 6-8) -0.20 1 -9.68 1 4 0 42 200.282 4

Activity (Go SEA)

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