UCSF

ZINC37221198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.38 4.91 -100.93 3 4 2 34 271.449 6
Hi High (pH 8-9.5) 1.38 3.82 -34.16 2 4 1 29 270.441 6
Lo Low (pH 4.5-6) 1.38 7.18 -179.67 4 4 3 35 272.457 6

Activity (Go SEA)

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