UCSF

ZINC37213769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 1.52 4.12 -131.94 5 5 2 81 313.467 6
Mid Mid (pH 6-8) 1.52 3.12 -41.31 4 5 1 77 312.459 6

Activity (Go SEA)

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