UCSF

ZINC70623011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 14 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) 1.70 6.19 -47.42 2 3 0 57 199.294 4
Hi High (pH 8-9.5) 1.70 5 -43.18 1 3 -1 52 198.286 4

Activity (Go SEA)

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