UCSF

ZINC43969057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.08 4.4 -35.31 2 4 1 38 267.393 8
Hi High (pH 8-9.5) 2.08 2.6 -4.34 1 4 0 34 266.385 8
Mid Mid (pH 6-8) 2.08 5.19 -33.09 2 4 1 35 267.393 8

Activity (Go SEA)

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