UCSF

ZINC23100464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 23 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) 2.14 1.6 -29.69 4 7 0 111 316.313 6
Hi High (pH 8-9.5) 2.14 2.62 -74.94 3 7 -1 114 315.305 6

Activity (Go SEA)

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