UCSF

ZINC39986801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 19 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) 3.31 4.76 -7.24 3 3 0 63 263.381 4
Mid Mid (pH 6-8) 3.31 5.16 -48.93 4 3 1 65 264.389 4

Activity (Go SEA)

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