UCSF

ZINC36870983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.66 3.39 -51.97 4 3 1 56 226.662 2
Hi High (pH 8-9.5) 1.66 2.97 -7.81 3 3 0 55 225.654 2
Hi High (pH 8-9.5) 1.66 3 -8.38 3 3 0 55 225.654 2

Activity (Go SEA)

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