UCSF

ZINC36893558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.72 9.38 -56.47 0 4 -1 58 243.286 4
Mid Mid (pH 6-8) 2.72 9.76 -48.91 1 4 0 59 244.294 4

Activity (Go SEA)

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