UCSF

ZINC35765893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 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) 2.53 10.1 -33.48 3 2 1 30 289.487 7
Mid Mid (pH 6-8) 2.53 10.42 -126.61 4 2 2 32 290.495 7

Activity (Go SEA)

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