UCSF

ZINC34640045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 4.06 9.08 -4.33 0 1 0 3 279.408 1
Mid Mid (pH 6-8) 4.06 11.48 -43.04 1 1 1 4 280.416 1

Activity (Go SEA)

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