UCSF

ZINC37820648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.12 3.37 -45.35 3 5 1 60 298.451 6
Hi High (pH 8-9.5) 1.12 3.07 -7.39 2 5 0 59 297.443 6
Mid Mid (pH 6-8) 1.12 5.37 -94.04 4 5 2 62 299.459 6

Activity (Go SEA)

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