UCSF

ZINC06134325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 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) 1.75 6.74 -60.17 0 7 -1 92 395.435 9
Mid Mid (pH 6-8) 2.20 -0.83 -18.42 1 7 0 88 396.443 8
Lo Low (pH 4.5-6) 2.20 -0.34 -50.09 2 7 1 90 397.451 8

Activity (Go SEA)

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