UCSF

ZINC33540209

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 6.34 13.24 -39.15 0 6 -1 83 501.559 6
Lo Low (pH 4.5-6) 6.34 12.11 -19.79 1 6 0 80 502.567 6

Activity (Go SEA)

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