UCSF

ZINC32497036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 17 Yes

Other Names:

MFCD09057604

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) 1.67 5.49 -116.16 4 3 2 41 236.359 4
Hi High (pH 8-9.5) 1.67 3.63 -42.25 3 3 1 40 235.351 4
Hi High (pH 8-9.5) 1.67 5.15 -33.16 3 3 1 40 235.351 4

Activity (Go SEA)

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