UCSF

ZINC45650650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.21 4.22 -47.14 2 4 1 38 263.361 4
Hi High (pH 8-9.5) 2.21 5.55 -36.67 2 4 1 35 263.361 4
Hi High (pH 8-9.5) 2.21 3.08 -5.35 1 4 0 34 262.353 4

Activity (Go SEA)

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