UCSF

ZINC37823542

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.27 5.49 -43.29 2 5 1 63 245.343 8
Hi High (pH 8-9.5) 1.27 4.31 -10.78 1 5 0 59 244.335 8

Activity (Go SEA)

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