UCSF

ZINC03538825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 4.04 8.42 -36.19 2 3 1 34 302.225 3
Hi High (pH 8-9.5) 3.85 7.59 -25.02 1 3 0 40 301.217 3

Activity (Go SEA)

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