UCSF

ZINC32836409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 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) 2.26 6.24 -14 1 4 0 47 263.728 3
Lo Low (pH 4.5-6) 2.26 6.35 -34.06 2 4 1 48 264.736 3

Activity (Go SEA)

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