UCSF

ZINC17112625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 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) 1.41 5.61 -39.86 0 7 -1 86 406.462 6
Mid Mid (pH 6-8) 1.86 7.06 -63.17 2 7 1 84 408.478 5
Mid Mid (pH 6-8) 0.83 7.92 -48.95 1 7 1 81 408.478 6
Mid Mid (pH 6-8) 1.41 8.01 -51.34 1 7 0 87 407.47 6

Activity (Go SEA)

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