UCSF

ZINC36746145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -2.34 -4.75 -64.18 6 7 1 134 308.405 6
Hi High (pH 8-9.5) -2.34 -5.05 -19.04 5 7 0 132 307.397 6

Activity (Go SEA)

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