UCSF

ZINC21002779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 4.35 8.9 -18.35 1 4 0 51 332.812 4
Hi High (pH 8-9.5) 4.53 7.83 -46.83 0 4 -1 58 331.804 4

Activity (Go SEA)

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