UCSF

ZINC21639596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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) 3.89 8.69 -11.1 1 7 0 69 406.486 7
Mid Mid (pH 6-8) 3.89 11.03 -52.11 2 7 1 70 407.494 7

Activity (Go SEA)

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