UCSF

ZINC20779297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 2.59 10.34 -49.06 1 5 1 43 373.517 6
Hi High (pH 8-9.5) 2.59 8.57 -8.28 0 5 0 42 372.509 6
Lo Low (pH 4.5-6) 2.59 10.28 -41.86 1 5 1 43 373.517 6

Activity (Go SEA)

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