UCSF

ZINC70800621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2011 16 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) 0.64 3.43 -43.36 2 4 1 36 241.384 4
Hi High (pH 8-9.5) 0.64 2.07 -5.82 1 4 0 31 240.376 4
Mid Mid (pH 6-8) 0.64 3.84 -77.26 3 4 2 37 242.392 4

Activity (Go SEA)

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