UCSF

ZINC37995375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 0.89 6.12 -42.42 1 4 0 54 203.282 8
Hi High (pH 8-9.5) 0.89 4.12 -44.15 0 4 -1 53 202.274 8

Activity (Go SEA)

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