UCSF

ZINC21520624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 18 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) 2.92 8.22 -47.11 3 1 1 28 374.071 3
Mid Mid (pH 6-8) 2.92 7.97 -2.76 2 1 0 26 373.063 3

Activity (Go SEA)

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