UCSF

ZINC21638407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.16 9.96 -44.63 2 6 1 63 354.478 4
Mid Mid (pH 6-8) 3.16 7.65 -10.13 1 6 0 61 353.47 4

Activity (Go SEA)

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