UCSF

ZINC23053476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 33 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) 2.10 11.27 -16.64 1 8 0 101 469.542 7
Mid Mid (pH 6-8) 2.56 9.48 -57.23 0 8 -1 104 468.534 7

Activity (Go SEA)

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