UCSF

ZINC32206668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 Yes

Other Names:

MFCD23106082

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) 2.88 7.74 -5.51 0 2 0 20 251.329 3
Lo Low (pH 4.5-6) 2.88 10.13 -39.86 1 2 1 22 252.337 3

Activity (Go SEA)

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