UCSF

ZINC37221401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.97 9.91 -92.29 3 2 2 21 282.497 6
Hi High (pH 8-9.5) 3.97 9.11 -32.34 2 2 1 16 281.489 6

Activity (Go SEA)

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