UCSF

ZINC37081795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.98 4.43 -127.97 4 4 2 51 304.381 8
Mid Mid (pH 6-8) 1.98 2.65 -48.96 3 4 1 49 303.373 8
Mid Mid (pH 6-8) 1.98 4.07 -33.59 3 4 1 49 303.373 8

Activity (Go SEA)

Rings

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