UCSF

ZINC21638058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.85 9.4 -46.2 2 6 1 63 340.451 4
Mid Mid (pH 6-8) 2.85 6.93 -10.07 1 6 0 61 339.443 4

Activity (Go SEA)

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