UCSF

ZINC58172834

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 23 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) 3.86 8.06 -34.65 2 4 1 50 312.437 3
Hi High (pH 8-9.5) 4.05 7.23 -12.04 1 4 0 45 311.429 4
Hi High (pH 8-9.5) 3.86 8.56 -36.3 1 4 0 53 311.429 4
Lo Low (pH 4.5-6) 3.86 8.99 -86.77 3 4 2 51 313.445 3

Activity (Go SEA)

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