UCSF

ZINC36158880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.20 5.42 -15.21 2 6 0 82 373.478 7
Mid Mid (pH 6-8) 2.20 7.39 -51.36 3 6 1 84 374.486 7

Activity (Go SEA)

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