UCSF

ZINC35151174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.00 5.24 -29.14 2 3 1 26 243.415 7
Hi High (pH 8-9.5) 2.00 2.99 -2.06 1 3 0 24 242.407 7
Mid Mid (pH 6-8) 2.00 6.66 -106.9 3 3 2 30 244.423 7
Mid Mid (pH 6-8) 2.00 4.41 -37.87 2 3 1 29 243.415 7

Activity (Go SEA)

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