UCSF

ZINC37123616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 3.30 8.94 -7.19 1 3 0 30 229.327 5
Mid Mid (pH 6-8) 3.30 9.45 -32.24 2 3 1 31 230.335 5

Activity (Go SEA)

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