UCSF

ZINC37140431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.45 3.57 -45.95 4 4 1 63 306.455 4
Hi High (pH 8-9.5) 0.45 2.86 -9.59 3 4 0 58 305.447 4
Mid Mid (pH 6-8) 0.45 5.06 -43.97 4 4 1 60 306.455 4

Activity (Go SEA)

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