UCSF

ZINC36795373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.04 7.48 -50.27 3 3 1 44 254.357 5
Hi High (pH 8-9.5) 2.04 7.09 -5.91 2 3 0 42 253.349 5
Mid Mid (pH 6-8) 2.04 7.99 -106.12 4 3 2 45 255.365 5

Activity (Go SEA)

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