UCSF

ZINC21507695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 2.19 3.26 -12.38 3 4 0 72 316.304 4
Hi High (pH 8-9.5) 2.19 3.31 -39.16 2 4 -1 74 315.296 4

Activity (Go SEA)

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