UCSF

ZINC40111558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 No

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) 1.38 10.52 -57.51 2 9 1 103 426.497 6
Mid Mid (pH 6-8) 1.38 8.17 -18.9 1 9 0 102 425.489 6

Activity (Go SEA)

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