UCSF

ZINC12540194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.32 6.6 -12.1 1 5 0 60 256.309 3
Lo Low (pH 4.5-6) 2.32 6.86 -39.01 2 5 1 61 257.317 3

Activity (Go SEA)

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