UCSF

ZINC36769694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.65 4.31 -1.25 2 3 0 38 268.445 3
Mid Mid (pH 6-8) 2.65 6.53 -125.81 4 3 2 41 270.461 3
Lo Low (pH 4.5-6) 2.65 6.27 -33.65 3 3 1 40 269.453 3

Activity (Go SEA)

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