UCSF

ZINC37026954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.57 3.06 -48.43 4 5 1 73 237.327 5
Hi High (pH 8-9.5) 0.57 2.76 -8.72 3 5 0 71 236.319 5
Mid Mid (pH 6-8) 0.57 3.57 -88.91 5 5 2 74 238.335 5

Activity (Go SEA)

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