UCSF

ZINC16148041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 33 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) 4.21 8.95 -24.9 1 7 0 85 468.575 9
Hi High (pH 8-9.5) 4.21 9.03 -61.74 0 7 -1 87 467.567 9

Activity (Go SEA)

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