UCSF

ZINC25756908

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 29 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) 4.01 13.8 -42.9 1 6 1 68 408.551 8
Mid Mid (pH 6-8) 4.01 11.66 -11.19 0 6 0 67 407.543 8

Activity (Go SEA)

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