UCSF

ZINC37028424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.21 1.58 -60.12 4 5 1 83 227.215 4
Hi High (pH 8-9.5) 0.21 1.18 -15.64 3 5 0 81 226.207 4

Activity (Go SEA)

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