UCSF

ZINC03869425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 27 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) -4.17 -5.55 -127.87 4 15 -2 235 425.272 6
Lo Low (pH 4.5-6) -4.17 -5.3 -132.11 5 15 -1 236 426.28 6
Lo Low (pH 4.5-6) -4.17 -9.67 -130.2 5 15 -1 236 426.28 6

Activity (Go SEA)

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