UCSF

ZINC32796986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 24 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) 4.40 6.2 -33.07 1 4 -1 65 343.369 4
Lo Low (pH 4.5-6) 3.95 7.27 -8.24 2 4 0 62 344.377 4

Activity (Go SEA)

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