UCSF

ZINC11999310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 24 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) 1.51 3.82 -18.6 0 6 0 76 368.48 4
Lo Low (pH 4.5-6) 1.51 4.83 -47.85 1 6 1 78 369.488 4

Activity (Go SEA)

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