UCSF

ZINC09969102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 31 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) 6.02 15.49 -43.19 2 4 0 62 430.935 8
Mid Mid (pH 6-8) 6.02 14.12 -54.47 1 4 -1 57 429.927 8

Activity (Go SEA)

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