UCSF

ZINC45691511

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 3.16 6.49 -29.41 2 2 1 20 215.405 8
Hi High (pH 8-9.5) 3.16 7.19 -27.81 2 2 1 16 215.405 8
Mid Mid (pH 6-8) 3.16 8.23 -105.36 3 2 2 21 216.413 8

Activity (Go SEA)

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