UCSF

ZINC21294602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 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) 4.63 8.49 -14.03 1 5 0 58 421.444 5
Mid Mid (pH 6-8) 4.63 10.88 -47.03 2 5 1 60 422.452 5

Activity (Go SEA)

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