UCSF

ZINC03100570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 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) 4.41 -2.53 -9.26 1 3 0 46 316.209 3
Hi High (pH 8-9.5) 4.41 -1.95 -43.15 0 3 -1 48 315.201 3

Activity (Go SEA)

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