UCSF

ZINC02876779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 32 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) 4.57 -7.26 -16.9 2 8 0 110 496.994 8
Hi High (pH 8-9.5) 4.57 -6.13 -100.67 0 8 -2 114 494.978 8
Hi High (pH 8-9.5) 4.57 -6.68 -43.15 1 8 -1 112 495.986 8
Hi High (pH 8-9.5) 4.57 -6.71 -52.98 1 8 -1 112 495.986 8

Activity (Go SEA)

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