UCSF

ZINC03983880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 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) 2.30 1.53 -14.56 3 9 0 128 390.344 5
Hi High (pH 8-9.5) 2.30 2.59 -58.22 2 9 -1 131 389.336 5

Activity (Go SEA)

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