UCSF

ZINC00099269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 3.18 9.33 -8.98 0 3 0 27 238.29 4
Lo Low (pH 4.5-6) 3.18 9.81 -34.7 1 3 1 28 239.298 4

Activity (Go SEA)

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