UCSF

ZINC20714163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 35 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) 3.41 5.27 -12.34 0 8 0 74 480.561 7
Mid Mid (pH 6-8) 3.41 7.53 -49.51 1 8 1 75 481.569 7
Lo Low (pH 4.5-6) 3.41 10.42 -127.77 2 8 2 76 482.577 7

Activity (Go SEA)

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