UCSF

ZINC03620987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 25 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) 1.92 4.59 -11.34 1 6 0 76 360.435 4
Mid Mid (pH 6-8) 1.92 4.6 -45.65 0 6 -1 78 359.427 4

Activity (Go SEA)

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