UCSF

ZINC53136960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.16 7.3 -32 2 4 1 52 255.345 3
Mid Mid (pH 6-8) 2.16 6.81 -8 1 4 0 51 254.337 3
Lo Low (pH 4.5-6) 2.16 7.75 -80.63 3 4 2 53 256.353 3

Activity (Go SEA)

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