UCSF

ZINC36195805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.44 3.88 -63.09 3 5 1 64 237.327 5
Hi High (pH 8-9.5) -0.44 3.68 -13.15 2 5 0 62 236.319 5
Mid Mid (pH 6-8) -0.44 4.4 -109.13 4 5 2 65 238.335 5

Activity (Go SEA)

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