UCSF

ZINC01245880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 28 No

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) 2.26 2.23 -44.9 1 8 -1 114 446.233 4
Hi High (pH 8-9.5) 2.26 3.26 -108.22 0 8 -2 117 445.225 4
Lo Low (pH 4.5-6) 1.80 4.7 -13.35 2 8 0 111 447.241 4

Activity (Go SEA)

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