UCSF

ZINC20762962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 5.08 14.15 -127.5 2 6 2 58 476.617 4
Hi High (pH 8-9.5) 5.08 12.21 -53.24 1 6 1 56 475.609 4
Hi High (pH 8-9.5) 5.08 11.7 -48.01 1 6 1 56 475.609 4

Activity (Go SEA)

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