UCSF

ZINC02860580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 3.55 11.14 -18.61 1 7 0 82 429.571 8
Hi High (pH 8-9.5) 3.74 9.93 -48.97 0 7 -1 88 428.563 8

Activity (Go SEA)

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