UCSF

ZINC32693771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 32 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) 7.47 14.69 -9.74 0 5 0 37 490.419 4
Lo Low (pH 4.5-6) 7.47 14.09 -48.47 1 5 1 36 491.427 4

Activity (Go SEA)

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