UCSF

ZINC36787571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 3.18 6.32 -105.99 4 2 2 32 214.397 4
Hi High (pH 8-9.5) 3.18 5.2 -36.7 3 2 1 31 213.389 4
Mid Mid (pH 6-8) 3.18 6.39 -30.6 3 2 1 30 213.389 4

Activity (Go SEA)

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