UCSF

ZINC19796489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 4.01 9.09 -14.59 1 6 0 72 458.337 4
Hi High (pH 8-9.5) 4.08 8.19 -40.28 0 6 -1 78 457.329 4

Activity (Go SEA)

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