UCSF

ZINC21639613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 31 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) 4.21 9.52 -10.09 1 7 0 69 420.513 8
Mid Mid (pH 6-8) 4.21 11.97 -43.47 2 7 1 70 421.521 8

Activity (Go SEA)

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