UCSF

ZINC36353734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 29 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) 1.07 4.91 -22.01 3 8 0 112 392.415 6
Ref Reference (pH 7) 0.88 7.55 -22.06 3 8 0 108 392.415 6
Lo Low (pH 4.5-6) 0.88 8.01 -59.02 4 8 1 110 393.423 6

Activity (Go SEA)

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