UCSF

ZINC69382463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 18 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) 4.58 8.43 -35.84 2 2 1 29 267.462 7
Hi High (pH 8-9.5) 4.58 7.33 -3.99 1 2 0 25 266.454 7

Activity (Go SEA)

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