UCSF

ZINC00486028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 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) 2.99 9.32 -34.2 1 2 1 17 253.369 3
Lo Low (pH 4.5-6) 2.99 9.6 -99.53 2 2 2 19 254.377 3

Activity (Go SEA)

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