UCSF

ZINC37812611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.85 0.37 -43 3 4 1 51 198.29 1
Hi High (pH 8-9.5) -0.85 0.04 -7.17 2 4 0 50 197.282 1
Mid Mid (pH 6-8) -0.85 2.5 -95.88 4 4 2 52 199.298 1

Activity (Go SEA)

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