UCSF

ZINC36652302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 28 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) 3.22 8.91 -10.48 2 6 0 74 380.492 6
Mid Mid (pH 6-8) 3.22 9.4 -34.53 3 6 1 76 381.5 6

Activity (Go SEA)

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