UCSF

ZINC43705625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -1.93 1.4 -79.95 2 7 0 90 257.29 3
Hi High (pH 8-9.5) -1.93 0.03 -53.97 1 7 -1 85 256.282 3

Activity (Go SEA)

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