UCSF

ZINC11914093

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 32 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) 3.68 6.89 -15.98 2 8 0 97 437.496 7
Hi High (pH 8-9.5) 3.68 7.73 -41.81 1 8 -1 100 436.488 7

Activity (Go SEA)

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