UCSF

ZINC00015376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 2.47 -3.26 -9.06 4 4 0 77 236.278 1
Mid Mid (pH 6-8) 2.47 -3.01 -33.61 5 4 1 79 237.286 1

Activity (Go SEA)

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