UCSF

ZINC06493627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 23 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) 2.19 4.26 -59.53 1 5 -1 78 308.313 4
Mid Mid (pH 6-8) 2.64 -1.67 -17.94 2 5 0 75 309.321 3
Mid Mid (pH 6-8) 1.61 -2.19 -11.41 1 5 0 72 309.321 4

Activity (Go SEA)

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