UCSF

ZINC08698635

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 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) 1.97 0.24 -59.17 1 4 0 57 274.364 3
Lo Low (pH 4.5-6) 1.97 0.35 -112.81 2 4 1 58 275.372 3

Activity (Go SEA)

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