UCSF

ZINC37076522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.88 6.32 -33.72 3 4 1 63 306.407 7
Mid Mid (pH 6-8) 2.88 5.66 -7.69 2 4 0 59 305.399 7

Activity (Go SEA)

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