UCSF

ZINC06785991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 No

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) 3.33 8.76 -62.21 0 6 -1 79 406.458 10
Mid Mid (pH 6-8) 3.78 0.97 -19.18 1 6 0 76 407.466 9

Activity (Go SEA)

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