UCSF

ZINC36877692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.45 5.64 -51.95 4 3 1 56 264.78 4
Hi High (pH 8-9.5) 1.45 5.98 -8.53 3 3 0 55 263.772 4
Lo Low (pH 4.5-6) 1.45 6.24 -114.96 5 3 2 58 265.788 4

Activity (Go SEA)

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