UCSF

ZINC37101762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.20 3.83 -8.81 2 4 0 58 300.399 4
Hi High (pH 8-9.5) 4.20 4.03 -45.15 1 4 -1 60 299.391 4

Activity (Go SEA)

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