UCSF

ZINC41681642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) 0.99 4.17 -95.85 4 3 2 35 203.374 8
Hi High (pH 8-9.5) 0.99 1.7 -37.49 3 3 1 34 202.366 8
Lo Low (pH 4.5-6) 0.99 5.93 -216.55 5 3 3 37 204.382 8

Activity (Go SEA)

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