UCSF

ZINC13675243

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 4.12 8.04 -20.79 2 7 0 102 424.478 8
Hi High (pH 8-9.5) 4.12 8.13 -50.63 1 7 -1 104 423.47 8

Activity (Go SEA)

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