UCSF

ZINC21881806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.21 9.24 -24.74 1 10 0 117 443.467 4
Hi High (pH 8-9.5) 1.12 8.19 -53.04 0 10 -1 120 442.459 4

Activity (Go SEA)

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