UCSF

ZINC37823007

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.99 3.85 -84.97 3 5 2 56 198.27 4
Hi High (pH 8-9.5) -0.99 1.99 -8 1 5 0 50 196.254 4
Mid Mid (pH 6-8) -0.99 3.42 -42.9 2 5 1 55 197.262 4

Activity (Go SEA)

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