UCSF

ZINC49557056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 1.61 6.07 -100.33 3 3 2 30 216.369 6
Hi High (pH 8-9.5) 1.61 3.6 -34.31 2 3 1 29 215.361 6
Hi High (pH 8-9.5) 1.61 5.04 -31.81 2 3 1 26 215.361 6

Activity (Go SEA)

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