UCSF

ZINC32905357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 19 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) 3.62 4.2 -37.67 0 4 -1 61 360.64 3
Lo Low (pH 4.5-6) 3.62 4.15 -11.24 1 4 0 59 361.648 3

Activity (Go SEA)

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