UCSF

ZINC34994940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.95 3.55 -48.34 2 5 1 51 291.371 6
Hi High (pH 8-9.5) 1.95 2.19 -9.95 1 5 0 47 290.363 6
Lo Low (pH 4.5-6) 1.95 5.81 -126.49 3 5 2 53 292.379 6

Activity (Go SEA)

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