UCSF

ZINC22991498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 34 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) 3.01 7.89 -26.98 2 9 0 119 496.618 5
Hi High (pH 8-9.5) 3.08 7.03 -100.83 0 9 -2 127 494.602 5
Mid Mid (pH 6-8) 3.01 7.97 -52.36 1 9 -1 121 495.61 5

Activity (Go SEA)

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