UCSF

ZINC22419003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 30 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) 3.20 9.1 -48.99 0 7 -1 93 427.481 8
Mid Mid (pH 6-8) 2.75 10.88 -10.74 1 7 0 90 428.489 8

Activity (Go SEA)

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