UCSF

ZINC12745192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 29 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) 2.93 7.16 -19.88 2 7 0 101 432.502 6
Hi High (pH 8-9.5) 2.93 7.24 -43.3 1 7 -1 103 431.494 6

Activity (Go SEA)

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