UCSF

ZINC43424579

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.20 3.86 -10.43 3 6 0 84 286.335 1
Hi High (pH 8-9.5) 1.66 1.82 -45.71 2 6 -1 87 285.327 1

Activity (Go SEA)

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