UCSF

ZINC36721953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 16 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) -0.04 -3.72 -39.23 2 6 -1 108 267.283 3
Mid Mid (pH 6-8) -0.04 -3.87 -17.13 3 6 0 106 268.291 3

Activity (Go SEA)

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