UCSF

ZINC19919200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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 7.44 -80.4 3 3 2 21 243.439 8
Hi High (pH 8-9.5) 2.18 5.22 -33.5 2 3 1 20 242.431 8

Activity (Go SEA)

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