UCSF

ZINC00255340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 4.89 2.15 -9.5 0 2 0 17 278.399 3
Mid Mid (pH 6-8) 1.48 2.32 -29.14 1 2 1 19 279.407 3

Activity (Go SEA)

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