UCSF

ZINC01148657

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 4.06 10.47 -39.97 0 6 -1 83 441.507 7
Mid Mid (pH 6-8) 3.47 0.06 -23.18 0 6 0 76 442.515 7
Mid Mid (pH 6-8) 4.50 -0.17 -28.28 1 6 0 79 442.515 6
Lo Low (pH 4.5-6) 4.50 -0.06 -53.24 2 6 1 80 443.523 6

Activity (Go SEA)

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