UCSF

ZINC27852640

Substance Information

In ZINC since Heavy atoms Benign functionality
February 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) 3.73 6.27 -34.41 0 3 -1 40 263.107 1
Hi High (pH 8-9.5) 3.73 6.68 -29.17 2 3 1 43 265.123 1
Mid Mid (pH 6-8) 3.73 6.67 -11.41 1 3 0 42 264.115 1

Activity (Go SEA)

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