UCSF

ZINC36788602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.91 6.49 -98.27 4 3 2 41 252.402 8
Hi High (pH 8-9.5) 2.91 4.72 -38.75 3 3 1 40 251.394 8

Activity (Go SEA)

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