UCSF

ZINC01903979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 29 No

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) 2.99 9.18 -22.57 1 9 0 127 408.395 5
Hi High (pH 8-9.5) 3.18 7.64 -56.55 0 9 -1 133 407.387 5

Activity (Go SEA)

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