UCSF

ZINC45650418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.15 5.03 -32.07 2 3 1 29 220.34 4
Hi High (pH 8-9.5) 1.15 2.6 -3.36 1 3 0 28 219.332 4
Lo Low (pH 4.5-6) 1.15 5.43 -78.21 3 3 2 31 221.348 4

Activity (Go SEA)

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