UCSF

ZINC34994095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.25 2.07 -53.87 4 4 1 81 190.226 3
Hi High (pH 8-9.5) 0.25 1.68 -14.28 3 4 0 79 189.218 3

Activity (Go SEA)

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