UCSF

ZINC02243990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 32 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) 3.50 -2.44 -56.91 3 7 -1 121 429.452 8
Hi High (pH 8-9.5) 3.34 8.5 -17.17 5 9 0 142 491.502 7

Activity (Go SEA)

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