UCSF

ZINC45655169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.00 5.88 -34.32 2 4 1 37 254.398 5
Hi High (pH 8-9.5) 1.00 3.49 -7.76 1 4 0 36 253.39 5
Lo Low (pH 4.5-6) 1.00 4.7 -42.12 2 4 1 40 254.398 5

Activity (Go SEA)

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