UCSF

ZINC44651887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 2.42 6.73 -115.99 4 4 2 56 261.369 6
Hi High (pH 8-9.5) 2.42 4.68 -6.33 2 4 0 50 259.353 6
Mid Mid (pH 6-8) 2.42 6.03 -43.81 3 4 1 55 260.361 6

Activity (Go SEA)

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