UCSF

ZINC02885102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 22 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) 5.11 -1.07 -8.04 1 3 0 46 317.454 3
Hi High (pH 8-9.5) 5.11 -0.49 -43.84 0 3 -1 48 316.446 3

Activity (Go SEA)

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