UCSF

ZINC58392001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 1.57 6.35 -39.29 3 5 1 58 291.419 8
Hi High (pH 8-9.5) 1.57 4.5 -7.21 2 5 0 57 290.411 8

Activity (Go SEA)

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