UCSF

ZINC45618971

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.38 3.35 -32.43 2 3 1 28 215.361 6
Hi High (pH 8-9.5) 1.38 1.08 -2.99 1 3 0 27 214.353 6
Hi High (pH 8-9.5) 1.38 3.36 -33.73 2 3 1 28 215.361 6

Activity (Go SEA)

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