UCSF

ZINC35644426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 3.10 4.94 -48.92 3 4 1 63 285.433 8
Mid Mid (pH 6-8) 3.10 5.11 -57.02 2 4 0 65 284.425 8

Activity (Go SEA)

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