UCSF

ZINC01141623

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 21 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) 4.79 -3.34 -7.7 1 3 0 46 368.296 5
Hi High (pH 8-9.5) 4.79 -2.76 -40.57 0 3 -1 48 367.288 5

Activity (Go SEA)

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