UCSF

ZINC21638645

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 1.00 5.26 -46.83 2 7 1 72 322.433 7
Hi High (pH 8-9.5) 1.00 2.95 -10.38 1 7 0 71 321.425 7

Activity (Go SEA)

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