UCSF

ZINC32545373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 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) 4.29 7.04 -12.48 2 4 0 58 279.343 3
Lo Low (pH 4.5-6) 4.29 7.42 -31.43 3 4 1 59 280.351 3

Activity (Go SEA)

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