UCSF

ZINC33446011

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 No

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) 2.99 9.64 -47.43 0 9 -1 114 463.466 7
Lo Low (pH 4.5-6) 2.99 8.51 -22.88 1 9 0 111 464.474 7

Activity (Go SEA)

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