UCSF

ZINC04092037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 1.80 0.25 -15.12 1 6 0 83 360.369 5
Mid Mid (pH 6-8) 1.21 0.07 -21.07 0 6 0 80 360.369 5
Lo Low (pH 4.5-6) 2.24 -0.03 -67.54 2 6 1 84 361.377 4
Lo Low (pH 4.5-6) 1.21 0.19 -56.35 1 6 1 81 361.377 5

Activity (Go SEA)

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