UCSF

ZINC14011074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 28 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) 3.13 5.67 -102.08 0 9 -2 144 444.197 3
Lo Low (pH 4.5-6) 2.68 7.1 -14.97 2 9 0 138 446.213 3
Lo Low (pH 4.5-6) 3.13 4.66 -49.35 1 9 -1 141 445.205 3

Activity (Go SEA)

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