UCSF

ZINC34959522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 0.14 6.35 -40.28 2 4 0 81 204.229 4
Hi High (pH 8-9.5) 0.14 5.29 -43.89 1 4 -1 76 203.221 4

Activity (Go SEA)

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