UCSF

ZINC33721098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 7.64 15.43 -10.61 0 6 0 62 502.636 8
Ref Reference (pH 7) 7.64 14.06 -10.57 0 6 0 62 502.636 8
Lo Low (pH 4.5-6) 7.64 14.59 -31.28 1 6 1 64 503.644 8
Lo Low (pH 4.5-6) 7.64 15.78 -29.44 1 6 1 64 503.644 8

Activity (Go SEA)

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