UCSF

ZINC37033944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.41 2.08 -46.8 4 6 1 92 312.415 4
Hi High (pH 8-9.5) 1.40 0.84 -51.34 2 6 -1 89 310.399 4
Hi High (pH 8-9.5) 1.41 2.13 -62.12 3 6 0 94 311.407 4

Activity (Go SEA)

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