UCSF

ZINC00207935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 3.84 0.75 -7.55 0 7 0 71 342.399 3
Mid Mid (pH 6-8) -0.84 1.61 -30.92 1 7 1 72 343.407 3

Activity (Go SEA)

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