UCSF

ZINC58405520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 31 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) 2.14 6.89 -21.02 2 7 0 90 421.497 5
Hi High (pH 8-9.5) 2.14 7.74 -61.13 1 7 -1 93 420.489 5

Activity (Go SEA)

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