UCSF

ZINC45651096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 3.00 6.08 -44.22 2 2 1 20 253.797 4
Hi High (pH 8-9.5) 3.00 7.41 -33.39 2 2 1 16 253.797 4
Hi High (pH 8-9.5) 3.00 4.94 -2.04 1 2 0 15 252.789 4

Activity (Go SEA)

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