UCSF

ZINC37825132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.80 2 -170.34 7 7 3 100 302.443 7
Hi High (pH 8-9.5) -0.80 1.67 -95.28 6 7 2 98 301.435 7

Activity (Go SEA)

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