UCSF

ZINC35102226

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) 1.02 -1.84 -12.72 3 5 0 79 211.217 4
Hi High (pH 8-9.5) 1.02 -0.84 -59.99 2 5 -1 82 210.209 4

Activity (Go SEA)

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