UCSF

ZINC09646640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 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) 2.23 4.92 -17.04 1 6 0 76 360.435 6
Mid Mid (pH 6-8) 2.23 4.97 -50.95 0 6 -1 78 359.427 6

Activity (Go SEA)

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