UCSF

ZINC36786045

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) 2.70 7.34 -51.56 3 3 1 44 256.373 4
Hi High (pH 8-9.5) 2.70 7.24 -6.77 2 3 0 42 255.365 4
Mid Mid (pH 6-8) 2.70 7.78 -100.08 4 3 2 45 257.381 4

Activity (Go SEA)

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