UCSF

ZINC37823588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.89 4.9 -36.38 2 4 1 40 268.425 4
Hi High (pH 8-9.5) 1.89 3.66 -6.55 1 4 0 36 267.417 4
Mid Mid (pH 6-8) 1.89 7.13 -96.94 3 4 2 41 269.433 4

Activity (Go SEA)

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