UCSF

ZINC05408870

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 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) 1.79 3.87 -59.57 1 7 -1 97 368.365 6
Mid Mid (pH 6-8) 2.23 -1.62 -19.24 2 7 0 94 369.373 5
Mid Mid (pH 6-8) 1.21 -2.03 -13.33 1 7 0 90 369.373 6

Activity (Go SEA)

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