UCSF

ZINC36874826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.57 5.11 -95.6 4 3 2 35 241.423 3
Hi High (pH 8-9.5) 1.57 2.85 -39.59 3 3 1 34 240.415 3
Mid Mid (pH 6-8) 1.57 4.84 -118.53 4 3 2 35 241.423 3

Activity (Go SEA)

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