UCSF

ZINC00267656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

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) 0.59 2.82 -11.99 0 8 0 96 270.252 1
Lo Low (pH 4.5-6) -3.15 3.1 -50.14 1 8 1 97 271.26 0
Lo Low (pH 4.5-6) -3.15 3.17 -154.37 2 8 2 98 272.268 0

Activity (Go SEA)

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