UCSF

ZINC41066597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 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) 1.80 4.89 -114.58 5 2 2 44 271.202 4
Hi High (pH 8-9.5) 1.80 3.73 -43.09 4 2 1 40 270.194 4
Mid Mid (pH 6-8) 1.80 4.5 -41.95 4 2 1 43 270.194 4

Activity (Go SEA)

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