UCSF

ZINC19967255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 1.29 3.17 -19.42 1 6 0 76 253.254 5
Hi High (pH 8-9.5) 1.29 4.13 -65.86 0 6 -1 79 252.246 5

Activity (Go SEA)

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