UCSF

ZINC37015298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 0.35 1.53 -53.38 4 4 1 70 202.237 2
Hi High (pH 8-9.5) 0.35 1.12 -10.64 3 4 0 68 201.229 2
Lo Low (pH 4.5-6) 0.35 2 -95.02 5 4 2 71 203.245 2

Activity (Go SEA)

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