UCSF

ZINC43387469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.91 3.12 -49.11 3 4 1 67 254.26 3
Hi High (pH 8-9.5) 0.91 2.8 -5.2 2 4 0 65 253.252 3

Activity (Go SEA)

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