UCSF

ZINC37152538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 1.99 3.85 -34.62 4 3 1 60 253.391 4
Hi High (pH 8-9.5) 1.99 2.82 -7.91 3 3 0 55 252.383 4

Activity (Go SEA)

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