UCSF

ZINC34991708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.02 10.98 -111.93 3 4 2 39 288.439 7
Hi High (pH 8-9.5) 2.02 9.82 -39.45 2 4 1 34 287.431 7
Mid Mid (pH 6-8) 2.02 11.5 -158.08 4 4 3 40 289.447 7

Activity (Go SEA)

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