UCSF

ZINC41120255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 2.18 6.59 -89.73 3 3 2 24 243.439 5
Mid Mid (pH 6-8) 2.18 4.23 -34.29 2 3 1 23 242.431 5
Mid Mid (pH 6-8) 2.18 6.03 -109.09 3 3 2 24 243.439 5

Activity (Go SEA)

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