UCSF

ZINC03215383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 36 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) 3.39 8.98 -34.75 2 9 0 111 506.584 8
Hi High (pH 8-9.5) 3.39 9.5 -83.68 1 9 -1 114 505.576 8

Activity (Go SEA)

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