UCSF

ZINC08602624

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 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) -2.11 -3.94 -17.91 6 9 0 158 267.245 3
Hi High (pH 8-9.5) -1.65 -6.08 -51.35 5 9 -1 161 266.237 3

Activity (Go SEA)

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