UCSF

ZINC22913735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 2.29 9.1 -43.97 1 3 1 21 284.427 8
Hi High (pH 8-9.5) 2.29 6.57 -4.43 0 3 0 19 283.419 8
Lo Low (pH 4.5-6) 2.29 9.54 -87.56 2 3 2 22 285.435 8

Activity (Go SEA)

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