UCSF

ZINC36764460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.09 3.58 -34.97 3 4 1 67 268.699 3
Mid Mid (pH 6-8) 2.09 3.26 -8.33 2 4 0 65 267.691 3

Activity (Go SEA)

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