UCSF

ZINC42766483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 No

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) 1.67 4.89 -36.29 3 4 1 47 257.427 7
Hi High (pH 8-9.5) 1.67 1.96 -4.76 2 4 0 45 256.419 7
Mid Mid (pH 6-8) 1.67 5.59 -78.4 4 4 2 48 258.435 7

Activity (Go SEA)

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