UCSF

ZINC01130494

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 24 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) 3.18 9.42 -17.67 1 6 0 73 359.48 6
Hi High (pH 8-9.5) 3.36 8.19 -48.63 0 6 -1 79 358.472 6

Activity (Go SEA)

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