UCSF

ZINC34990998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.45 6.49 -58.55 2 4 1 63 254.313 6
Hi High (pH 8-9.5) 1.45 5.13 -10.86 1 4 0 58 253.305 6

Activity (Go SEA)

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