UCSF

ZINC37813989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.67 4.21 -88.44 4 5 2 67 238.335 5
Hi High (pH 8-9.5) -0.67 4.44 -10.48 2 5 0 64 236.319 5
Mid Mid (pH 6-8) -0.67 4.72 -42.82 3 5 1 66 237.327 5

Activity (Go SEA)

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