UCSF

ZINC65395496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 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) 2.03 9.48 -101.93 3 3 2 36 231.343 5
Hi High (pH 8-9.5) 2.03 7.99 -6.1 1 3 0 30 229.327 5
Mid Mid (pH 6-8) 2.03 8.97 -41.23 2 3 1 34 230.335 5

Activity (Go SEA)

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