UCSF

ZINC04454544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 29 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) 4.32 11.03 -18.7 1 6 0 75 412.559 7
Hi High (pH 8-9.5) 4.51 9.74 -57.82 0 6 -1 82 411.551 7

Activity (Go SEA)

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