UCSF

ZINC12970160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 29 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) 1.83 6.03 -64.65 0 7 -1 92 395.435 8
Lo Low (pH 4.5-6) 1.25 7.62 -59.12 1 7 1 87 397.451 8
Lo Low (pH 4.5-6) 1.83 5.21 -20.48 1 7 0 89 396.443 8

Activity (Go SEA)

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