UCSF

ZINC59602867

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 1.88 4.79 -168.19 7 4 3 62 301.543 9
Hi High (pH 8-9.5) 1.88 3.62 -77.48 6 4 2 57 300.535 9
Hi High (pH 8-9.5) 1.88 3.84 -95.25 6 4 2 57 300.535 9
Lo Low (pH 4.5-6) 1.88 6.13 -313.58 8 4 4 66 302.551 9

Activity (Go SEA)

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