UCSF

ZINC36136286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.35 4.11 -49.67 3 5 1 68 268.381 2
Mid Mid (pH 6-8) 0.35 4.04 -15.33 2 5 0 67 267.373 2

Activity (Go SEA)

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