UCSF

ZINC35367660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.95 5.49 -36.93 3 5 1 64 263.365 4
Mid Mid (pH 6-8) 1.95 5.03 -11.41 2 5 0 62 262.357 4

Activity (Go SEA)

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